Chem
J-GLOBAL ID:200907082680918410
Nikkaji number:J601.113F
8-Iodo-8-demethylriboflavin
8-ヨード-8-デメチルリボフラビン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C16 H17 IN4 O6
Molecular formula furigana:
C16-H17-I-N4-O6
Molecular weight:
488.238
InChI:
InChI=1S/C16H17IN4O6/c1-6-2-8-9(3-7(6)17)21(4-10(23)13(25)11(24)5-22)14-12(18-8)15(26)20-16(27)19-14/h2-3,10-11,13,22-25H,4-5H2,1H3,(H,20,26,27)/t10-,11+,13-/m0/s1
InChI key:
GXUZMSUHTJJUNU-LOWVWBTDSA-N
SMILES:
Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1I
Systematic name (3):
8-ヨード-8-デメチルリボフラビン
8-ヨード-7-メチル-10-[(2S,3S,4R)-2,3,4,5-テトラヒドロキシペンチル]-2H,3H,4H,10H-ベンゾ[g]プテリジン-2,4-ジオン
8-iodo-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione
Other name (1):
8-Iodo-8-demethylriboflavin
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